source: trunk/doc/wishlist.html @ 519

Last change on this file since 519 was 519, checked in by toby, 11 years ago

# on 2001/12/19 18:55:42, toby did:
reformat to match NCNR style

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/12/19 18:55:42
  • Property rcs:lines set to +34 -18
  • Property rcs:rev set to 1.20
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 9.8 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI Wish List</title>
5   <meta name="keywords" content="crystallography, Rietveld, diffraction,
6   GSAS, EXPGUI">
7</HEAD>
8<style>
9A:link {text-decoration:none}
10A:vlink {text-decoration:none}
11</style>
12
13<BODY BGCOLOR="#FFFFFF"
14      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
15      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
16
17<?
18   include("/var/www/include/navigation.inc");
19   include("/var/www/include/utility.inc");
20?>
21<blockquote><font face="arial, helvetica, sans-serif">
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
25</TH><TH><A  Href="revlog.html">Full change log</A> 
26</TH></TR></TABLE><BR CLEAR=ALL>
27
28<center><h1>
29<HR noshade width="75%" size="2" align="center">
30EXPGUI Wish List<BR>
31New Features Completed, In Progress, Planned, or Requested
32<HR noshade width="75%" size="2" align="center">
33</h1></center>
34<P>
35This page describes recent features added to EXPGUI or that are being
36considered for addition.
37See the <A HREF="expgui.html">EXPGUI documentation</A> for a description of
38the current features and see <A HREF="revlog.html">the EXPGUI Revision log</A>
39for a complete list of all changes for the source files.
40
41<H2>Requested EXPGUI improvements 2001-</H2><DL>
42The suggested improvements obtained from EXPGUI users are listed here.
43Prioritization is mine, with input from users.
44Additional suggestions and input on priorities are welcome; send them to
45<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
46<H4>
47Highest
48Priority</h4><UL>
49
50<LI> graphical excluded region editing
51<font color=red>(done)</font>
52
53<LI> Fixed background editor; fit a Chebeschev polynomial to
54        selected background points
55<font color=red>(done)</font>
56
57<LI> import coordinates from EXP files
58<font color=red>(done)</font>
59
60<LI> import coordinates from .xtl files
61
62<LI> support the new archived .EXP files (.Oxx)
63<font color=red>(done)</font>
64
65<LI> Liveplot: look for a valid histogram on startup
66<font color=red>(done)</font>
67
68<LI> support new refinement control options (convergence...)
69<font color=red>(done)</font>
70
71<LI> support histogram flags
72<font color=red>(done)</font>
73
74<LI> Support macromolecular phases
75
76</UL><h4>
77Medium
78Priority</h4><UL>
79
80<LI> support histogram flags for non-powder (single xtal & soft-constraint)
81histograms.
82<font color=red>(done)</font>
83
84<LI> Add GUI support for bond-distance soft constraints
85[a major project]
86
87<LI> Support dummy histograms for powder simulations
88<font color=red>(done)</font>
89
90<LI> "finalplot" program for publication-quality output
91
92<LI> Import diffraction data from CIFs (& revisit CIF exporting)
93[a major project]
94
95<LI> Show status information (R-factors & dates) from selected .EXP files & 
96.Oxx files
97<font color=red>(done)</font>
98
99<LI> Fourier Transform interface,
100perhaps with two parts: set up options for map computing and at some
101point later think about map viewing options.
102
103
104<LI> Rework coordinate export interface, support more formats
105        [examples: Platon (http://www.ccp14.ac.uk/tutorial/platon,
106        http://www.cryst.chem.uu.nl/platon/,
107        ftp://xraysoft.chem.uu.nl/pub/),
108         CrystalMaker)
109
110<LI> Support dummy histograms in EXCLEDT
111<font color=red>(done)</font>
112
113</UL><h4>
114Low
115Priority</h4><UL>
116
117<LI> "save as" for DISAGL output
118<font color=red>(done)</font>
119
120<LI> instrument parameter file editor
121
122<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
123        from another .EXP file
124
125<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
126
127<LI> log/graph parameters vs cycle
128
129<LI> "wizard" that would lead new users through the steps of
130        setting up a refinement. This may be hard to do well, but ideas
131        are solicited.
132
133
134</UL><h4>
135Not Planned
136</h4><UL>
137
138<LI> Shelx style disagl output
139
140<LI> point & click GUI-Forplot
141
142<LI> save plot as metafile
143
144</UL>
145<hr>
146</DL>
147
148<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
149Additional features added to EXPGUI since mid-2000 are listed here,
150with an approximate date the features were added and the EXPGUI version
151where the feature was added. This list includes only the major changes.
152For a complete list of all changes for the source files
153see <A HREF="revlog.html">the EXPGUI Revision log</A>
154<P>
155
156<DT>Bug fixes<DD>
157Put Edit Excluded Regions button back; Allow D as an element type; bkgedit
158with old BLT versions; manual zoom reset; saveas error;
159(12/2001, 1.52)
160
161<DT>Histogram Flags<DD>
162Display R-factors, etc. in .EXP file open dialog.
163(12/2001, 1.52)
164
165<DT>Histogram Flags<DD>
166Histogram flags can be set for all types of histograms.
167(11/2001, 1.51)
168
169<DT>Dummy Histograms<DD>
170Dummy histogram ranges can now be changed in the EXCLEDT routine.
171(11/2001, 1.50)
172
173<DT>
174Excluded region/Data limits editor
175<DD>
176Major rewrite to make compatible with Win-9x & add dummy histogram support
177(11/2001, 1.50)
178
179<DT>LIVEPLOT, BKGEDIT & EXCLEDT
180<DD>new features: manual zoom (z key) and cycle between histograms
181(n key)
182(11/2001, 1.50)
183
184<DT>Update archived file treatment<DD>
185Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
186of hexidecimal digits, as is now done in EXPEDT, GENLES,...
187Archived files can now be read directly in Windows & Unix.
188(10/2001, 1.49)
189
190<DT>Import coordinates from EXP files<DD>
191A .EXP or .Oxx file is selected (as well as a phase,
192if more than one is present) and the coordinates are imported into
193the current experiment file.
194(10/2001, 1.48)
195
196<DT>Web help<DD>
197Fix -NT & -2000 bug in bringing up web pages
198
199<DT>Dummy Histograms<DD>
200Dummy histograms are used to simulate powder diffraction patterns.
201It is now possible to set them up in EXPEDT using the "add histogram"
202button.
203(9/2001, 1.47)
204
205<DT>
206Histogram flags
207<DD>
208The use/do not use flag for histograms can now be set using a button
209on the histogram pane.
210(9/2001, 1.47)
211
212<DT>
213Excluded region/Data limits editor
214<DD>
215This allows the range of data to be included in the refinement
216to be selected graphically.
217(9/2001, 1.46)
218
219<DT>
220Adjustable screen font selection
221<DD>
222Font size can now be selected from a menu. Convenient, as well as
223perhaps improving on utility for folks with visual disabilities.
224The customization discussion in expgui_cfg.html
225now tells how to do override the default families & relative sizes.
226(9/2001, 1.46)
227
228<DT>
229Add Marquardt damping, LeBail damping to GUI
230<DD>
231These parameters are on "LS Controls" pane, along with
232the convergence parameter. The <a HREF="expgui1.html">documentation for this
233pane</A>
234has also been expanded
235to better explain what these options do. (7/2001, 1.44)
236
237<DT>
238Fixed background points (BKGEDIT)
239<DD>
240Fits a Chebeshev polynomial to a set of fixed points input by a user.
241If need be (not recommended, though) the background points
242can be input to GSAS as fixed background values. (7/2001, 1.44)
243<DT>
244"doc-less" install
245<DD>
246Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
247local system (6/2001, 1.43)
248
249<DT>
250Load archived files (Unix only)
251<DD>
252A convenient way to load archived versions of the .EXP file has been
253added to the EXPNAM command (4/2001, 1.42).
254
255<DT>
256Sort atoms to be added
257<DD>
258A convenient way to sort the atom list (4/2001, 1.42).
259
260<DT>
261WWW links
262<DD>
263Implemented context-sensitive help that brings up web pages
264from local storage. (10/2000, 1.38)
265
266<DT>
267Error reporting
268<DD>
269When an invalid entry is specified, (for example 1..0 is typed, instead
270of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
271flag the error. This only happens for entries on the main panes. For
272entries on modal dialogs (where there a "done" or "keep" button), these
273errors will be reported only when the button is pressed. (10/2000, 1.38)
274
275<DT>
276Import Atoms/Import Phase
277<DD>
278A CIF import routine is now available. (10/2000, 1.38)
279
280<DT>
281"Non-shell" version of EXPGUI
282<DD>
283EXPGUI has two functions, 1) to act as a "shell" that calls the
284various GSAS programs, and 2) to edit the .EXP file. For use with
285MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
286to turn off the "shell" features -- by calling EXPGUI with the argument
287-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
288This mode has not yet been tested. (10/2000, 1.36)
289
290<DT>
291NIST accessibility requirement
292<DD>
293NIST requires that all images in WWW pages have an ALT= tag included.
294This has been done on all the documentation HTML pages, despite the
295fact that (in this case) it adds no new content for anyone.
296
297<DT>
298Change space group/Import from file
299<DD>
300A mechanism where one can specify a new space group, cell,
301and reinput all atoms for the phase (to get site syms correct). One can
302keep the old atoms for the phase or replace them. It is possible
303to do this manually or with a file import capability.
304At present the only file type accepted is
305the .CEL format from PowderCell. New format filters can be "dropped" in
306place. (8/2000, 1.33)
307
308<DT>
309Import Atoms/Import Phase
310<DD>
311This appears on the add atoms & add phase dialogs and draws on the above.
312(8/2000, 1.33)
313
314<DT>
315Transform Atoms
316<DD>
317There is now a "xform atom(s)" button on the phase pane that
318can be used to transform coordinates,
319globally set the occupancy & Uiso and switch atoms between
320iso/aniso and erase selected groups of atoms
321(8/2000, 1.31)
322
323<DT>
324Delete phases
325<DD>
326Work around -- change phase flags on the histogram page (appears when 2+ phases
327present).
328(8/2000, 1.31)
329
330<DT>
331Spherical Harmonic (ODF) Preferred Orientation
332<DD>
333done
334(7/2000, 1.29)
335
336<DT>
337Define background types
338<DD>
339The pull-down background selection menu now shows the names of the
340background functions (7/2000, 1.29)
341
342
343</DL>
344<hr>
345<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
346<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
347</TH><TH><A  Href="revlog.html">Full change log</A>
348</TH></TR></TABLE>
349<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
350<br>
351$Revision: 519 $ $Date: 2009-12-04 23:07:31 +0000 (Fri, 04 Dec 2009) $
352</blockquote>
353</body>
354</html>
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